| CAS Number | 1152505-97-9 |
| Catalog Number | AG019X49(AGN-PC-0WO56D) |
| Chemical Name | 5-(3-Fluorophenyl)-1,2,4-triazin-3-amine |
| IUPAC Name | 5-(3-fluorophenyl)-1,2,4-triazin-3-amine |
| InChI | InChI=1S/C9H7FN4/c10-7-3-1-2-6(4-7)8-5-12-14-9(11)13-8/h1-5H,(H2,11,13,14) |
| InChI Key | ANSYPNXGEXWJPP-UHFFFAOYSA-N |
| MDL Number | MFCD11101840 |
| Molecular Formula | C9H7FN4 |
| Molecular Weight | 190.1771 |
| SMILES | NC1=NC(C2=CC(F)=CC=C2)=CN=N1 |
| Synonyms | 5-(3-fluorophenyl)-1,2,4-triazin-3-amine,
1152505-97-9,
1,2,4-Triazin-3-amine, 5-(3-fluorophenyl)-,
AC1Q52KH,
SCHEMBL2323257,
CTK7C1785,
ZINC34959337,
AKOS008121597,
MCULE-2341038236,
NE20114,
EN300-54005,
AB01000849-01,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.181g/mol |
| Monoisotopic Mass | 190.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number